DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:37 UTC
Update Date	2025-03-25 00:57:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223595
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₅O₅
Molecular Mass	419.2169
SMILES	N=C(N)NCCCC(O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	ZHUMECNQDAMHCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids delta amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid guanidine imine n-acylpyrrolidine monosaccharide alpha-amino acid or derivatives saccharide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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